TL;DR: 2-[(2-Chlorobenzoyl)amino]-4-methylpentanoic acid (CAS 1215834-12-0) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-chlorobenzoyl)amino]-4-methylpentanoic acid
Also Known As: BAS 03008169, 2-[(2-chlorobenzoyl)amino]-4-methylpentanoic acid, 2-(2-Chloro-benzoylamino)-4-methyl-pentanoic acid, 2-(2-chlorobenzamido)-4-methylpentanoic acid, 2-[(2-chlorophenyl)formamido]-4-methylpentanoicacid
| Molecular Formula | C13H16ClNO3 |
| Molecular Weight | 269.08188 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.08188 Da |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
| SMILES | CC(C)CC(C(=O)O)NC(=O)C1=CC=CC=C1Cl |
| InChIKey | OBOAWEJPTDTTMB-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-[(2-Chlorobenzoyl)amino]-4-methylpentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chlorobenzoyl)amino]-4-methylpentanoic acid. Following Lipinski's Rule of Five, 2-[(2-Chlorobenzoyl)amino]-4-methylpentanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(2-Chlorobenzoyl)amino]-4-methylpentanoic acid is 1215834-12-0.
The molecular formula of 2-[(2-Chlorobenzoyl)amino]-4-methylpentanoic acid is C13H16ClNO3.
The molecular weight of 2-[(2-Chlorobenzoyl)amino]-4-methylpentanoic acid is 269.08188 g/mol.
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